7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
TL;DR: 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 61785-69-1) is a chemical compound with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole, 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium, 2,1,3-BENZOXADIAZOLE,4-(HEXAHYDRO-1H-AZEPIN-1-YL)-7-NITRO-, 3-OXIDE
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 61785-69-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | VRZYVARISPPPLN-UHFFFAOYSA-N |
Product Overview
7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 61785-69-1), with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol. IUPAC: 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Property Insights of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The CAS number of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 61785-69-1.
What is the molecular formula of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular formula of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is C12H14N4O4.
What is the molecular weight of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
The molecular weight of 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is 278.10 g/mol.
Where can I buy 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
You can request a quote for 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-(Azepan-1-yl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.